Information card for entry 2216796

Structure parameters

• Chemical name: N,N'-bis(2-acetylphenyl)ethanediamide
• Formula: C18 H16 N2 O4
• Calculated formula: C18 H16 N2 O4
• SMILES: O=C(C(=O)Nc1ccccc1C(=O)C)Nc1ccccc1C(=O)C
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-acetylphenyl)ethanediamide, a second polymorph
• Authors of publication: Brewer, Greg A.; Jasinski, Jerry P.; Butcher, Ray J.; Scheidt, W. Robert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4889 - o4889
• a: 3.9567 ± 0.0004 Å
• b: 12.3429 ± 0.0012 Å
• c: 15.3884 ± 0.0015 Å
• α: 87.622 ± 0.002°
• β: 83.998 ± 0.002°
• γ: 86.662 ± 0.002°
• Cell volume: 745.66 ± 0.13 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes